UCSF

ZINC08971365

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 20 No

Download: MOL2 SDF SMILES Flexibase

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) 0.98 0.57 -43.79 1 6 -1 95 271.252 3
Hi High (pH 8-9.5) 0.98 0.6 -98.21 0 6 -2 98 270.244 3
Hi High (pH 8-9.5) 0.98 0.7 -100.56 0 6 -2 98 270.244 3
Mid Mid (pH 6-8) 0.53 2.34 -11.06 2 6 0 92 272.26 3
Mid Mid (pH 6-8) 0.98 -0.19 -44.21 1 6 -1 95 271.252 3

Activity (Go SEA)

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