UCSF

ZINC38545485

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 21 No

CAS Number: 4016-63-1

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) -0.96 -8.43 -44.23 4 10 -1 152 361.132 2
Lo Low (pH 4.5-6) -0.96 -8.44 -17.94 5 10 0 154 362.14 2

Activity (Go SEA)

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