UCSF

ZINC37856270

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.87 -4.27 -46.35 3 7 -1 125 312.352 4
Hi High (pH 8-9.5) 0.41 -2.1 -43.01 3 7 -1 124 312.352 4
Mid Mid (pH 6-8) 0.41 -2.26 -16.21 4 7 0 122 313.36 4
Mid Mid (pH 6-8) 0.87 -4.24 -100.31 2 7 -2 127 311.344 4

Activity (Go SEA)

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