UCSF

ZINC34928634

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.84 7.57 -38.88 3 5 0 85 312.156 2
Hi High (pH 8-9.5) 0.84 6.4 -45.96 2 5 -1 81 311.148 2
Hi High (pH 8-9.5) 0.84 6.39 -51.21 2 5 -1 81 311.148 2
Mid Mid (pH 6-8) 0.84 7.56 -31.86 3 5 0 85 312.156 2
Lo Low (pH 4.5-6) 0.84 8.03 -81.44 4 5 1 87 313.164 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )