UCSF

ZINC37140502

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 18 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) 1.11 1.83 -39.83 4 4 1 63 268.406 5
Hi High (pH 8-9.5) 1.11 0.8 -9.43 3 4 0 58 267.398 5
Mid Mid (pH 6-8) 1.11 3 -40.84 4 4 1 60 268.406 5

Activity (Go SEA)

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