UCSF

ZINC00272121

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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) 1.30 4.16 -9.76 1 4 0 51 242.278 4
Lo Low (pH 4.5-6) 1.30 4.44 -43.62 2 4 1 52 243.286 4

Activity (Go SEA)

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