UCSF

ZINC37078652

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) 1.71 9.24 -39.49 3 2 1 30 267.396 4
Mid Mid (pH 6-8) 1.71 9.58 -131.95 4 2 2 32 268.404 4
Mid Mid (pH 6-8) 1.71 7.59 -44.17 3 2 1 31 267.396 4

Activity (Go SEA)

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