UCSF

ZINC37101381

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 Yes

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) 3.18 7.35 -8.86 1 3 0 38 263.344 3
Mid Mid (pH 6-8) 3.18 7.7 -31.24 2 3 1 39 264.352 3
Lo Low (pH 4.5-6) 3.18 8.19 -78 3 3 2 40 265.36 3

Activity (Go SEA)

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